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Compound InformationSONAR Target prediction
Name:

PREDNISOLONE SODIUM PHOSPHATE

Unique Identifier:SPE01505712
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H27Na2O8P
Molecular Weight:457.173 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[Na+].[Na+].[O-]P([O-])(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)
CC21C
Therapeutics:antiinflammatory, glucocorticoid

Found: 104 nonactive as graph: single | with analogs [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [104]
Species: 4932
Condition: DCC1
Replicates: 2
Raw OD Value: r im 0.6698±0.0122329
Normalized OD Score: sc h 0.9952±0.00266793
Z-Score: -0.2263±0.128679
p-Value: 0.821728
Z-Factor: -204.369
Fitness Defect: 0.1963
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:21|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2008-06-25 YYYY-MM-DD
Plate CH Control (+):0.04045±0.00100
Plate DMSO Control (-):0.6585000000000001±0.01457
Plate Z-Factor:0.9297
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 17014 | Additional Members: 17 | Rows returned: 2
Prest1079 0.577319587628866
Prest840 0.425287356321839

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